rdf-syntax-grammar
mods:
  schema location: http://www.loc.gov/mods/v3 http://www.loc.gov/standards/mods/v3/mods-3-2.xsd
  title info:
    title: Processing metabolomics and proteomics data with open software
    sub title: a practical guide
  name:
    name part: Winkler, Robert
    role:
      role term: editor.
  name:
    name part: Knovel (Firm)
  type of resource: text
  genre: Electronic books.
  origin info:
    place:
      place term: enk
    date issued: 2020
    issuance: monographic
  language:
    language term: eng
  physical description:
    form: remote
    extent: 1 online resource
  abstract: Metabolomics and proteomics allow deep insights into the chemistry and physiological processes of biological systems. This book will enable researchers, practitioners and students from different backgrounds to analyze metabolomics and proteomics mass spectrometry data.
  table of contents: Intro -- Half Title -- Series editors -- Title -- Copyright -- Preface -- Contents -- Part A General Section -- Chapter 1 Introduction -- 1.1 Hypothesis-driven versus Exploratory Research -- 1.2 Mass Spectrometry Basics -- 1.2.1 The Sample Introduction Unit -- 1.2.2 The Separation/Imaging Component -- 1.2.3 The Ionization Unit -- 1.2.4 The Mass Analyzer -- 1.2.5 Fragmentation -- 1.2.6 Detector -- 1.2.7 Mass Spectra and Mass Chromatograms -- 1.2.8 LC-MS Analysis and Data Acquisition Strategies -- 1.3 Why Open Software for Mass Spectrometry? -- References
  table of contents: Chapter 2 Mass Spectrometry Data Operations and Workflows -- 2.1 Operations -- 2.1.1 Formatting -- 2.1.2 Alignment -- 2.1.3 Peak Detection -- 2.1.4 Identification -- 2.1.5 Calibration -- 2.1.6 Quantification -- 2.1.7 Quality Control -- 2.1.8 Statistical Analysis -- 2.1.9 Visualization -- 2.1.10 Deposition -- 2.2 Workflows -- References -- Chapter 3 Metabolomics -- 3.1 Introduction to Metabolomics -- 3.2 Different 'Flavours' of Metabolomics -- 3.3 Technologies for Metabolomics -- 3.3.1 LC-MS and LC-MS/MS for Metabolomics -- 3.3.2 GC-MS for Metabolomics -- 3.3.3 CE-MS for Metabolomics
  table of contents: 3.4 LC-MS Processes and Software for Metabolomics -- 3.4.1 Untargeted LC-MS Metabolomics Tools and Workflows -- 3.4.2 Targeted LC-MS Metabolomics Tools and Workflows -- 3.5 GC-MS Metabolomics Tools and Workflows -- 3.6 CE-MS Metabolomics Workflows and Software -- 3.6.1 Data Pre-processing Software -- 3.6.2 Statistical Analysis -- 3.6.3 Metabolite Annotation -- 3.7 Lipidomics Workflows and Software Tools -- 3.7.1 LC-MS Lipidomics Software -- 3.7.2 Shotgun Lipidomics -- 3.7.3 Imaging Lipidomics of Mass Spectrometry Imaging -- 3.8 Conclusion -- References -- Chapter 4 Proteomics
  table of contents: 4.1 The Proteome: Dimensions, Scales, and Complexity -- 4.2 Proteomic Experiments and Data Life Cycle -- 4.3 Signal Processing -- 4.4 Qualitative Analysis -- 4.5 Quantitative Analysis -- 4.6 Getting the Bigger Picture -- References -- Chapter 5 Statistics, Data Mining and Modeling -- 5.1 Sample Comparison -- 5.1.1 Distance Measures -- 5.1.2 Multiple Sample Visualization -- 5.1.3 Outlier Detection -- 5.2 Dimensionality Reduction -- 5.2.1 Principal Component Analysis -- 5.2.2 Self-organizing Maps -- 5.3 Cluster Analyses -- 5.3.1 K-Means -- 5.3.2 Hierarchical Clustering -- 5.4 Important Variables
  table of contents: 5.4.1 Ranking Peaks -- 5.4.2 Biomarker Discovery -- 5.5 Predictive Models -- 5.5.1 Machine Learning Introduction -- 5.5.2 Supervised Learning Models -- 5.5.3 Dataset Partitioning Methods -- 5.5.4 Performance Measures -- 5.5.5 A Classification Case Study -- Acknowledgements -- References -- Part B Open MS Programs, Toolkits and Workflow Platforms -- Chapter 6 OpenMS and KNIME for Mass Spectrometry Data Processing -- 6.1 Introduction -- 6.2 OpenMS for Developers -- 6.2.1 C++ Library -- 6.2.2 Data Formats and Raw Data API -- 6.2.3 Algorithms -- 6.2.4 TOPP Tools (Developer Perspective)
  note: edited by Robert Winkler.
  note: Includes index.
  subject:
    topic: Metabolites
    topic: Data processing
  subject:
    topic: Proteomics
    topic: Data processing
  subject:
    topic: Molecular spectroscopy
    topic: Data processing
  subject:
    topic: Open source software
  subject:
    topic: Métabolites
    topic: Informatique
  subject:
    topic: Protéomique
    topic: Informatique
  subject:
    topic: Spectroscopie moléculaire
    topic: Informatique
  subject:
    topic: Logiciels libres
  subject:
    topic: Molecular spectroscopy
    topic: Data processing
  subject:
    topic: Open source software
  classification: QP171
  classification: 612.39
  classification: QU 120
  related item:
    title info:
      title: Processing metabolomics and proteomics data with open software
    origin info:
      publisher: Cambridge : Royal Society of Chemistry, 2020
    identifier: (OCoLC)1144801347
  related item:
    title info:
      title: New developments in mass spectrometry ; 8
  identifier: 9781788019880
  identifier: 1788019881
  identifier: 9781788019903
  identifier: 1788019903
  identifier: 9781788017213
  identifier: 1788017218
  identifier: 5805:5649 Royal Society of Chemistry
  identifier: http://proxy.library.tamu.edu/login
  record info:
    record content source: UKRSC
    record creation date: 200330
    record change date: 20230110224434.5
    record identifier: in00004639775
    language of cataloging:
      language term: eng